[gmx-users] Check V for NVT‏

Justin A. Lemkul jalemkul at vt.edu
Sat Aug 14 00:23:40 CEST 2010

Rama G wrote:
> Hi Gmx users,
> I am using 4.0.X version of Gromacs and doing a NVT simulation. Now I 
> wanna check if the Volume is constant after the simulation.
> I tried g_energy but did not find "Volume" in the pool of the options. 
> Can anyone help me?

Box-X, -Y, and -Z are in the .edr file.  From these, you can calculate the volume.


> Thanks,
> Juju


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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